4-[4-(difluoromethyl)-1-methylpyrazol-3-yl]-1,2,3,6-tetrahydropyridine

C10H13F2N3 — CID 165475953

IUPAC4-[4-(difluoromethyl)-1-methylpyrazol-3-yl]-1,2,3,6-tetrahydropyridine
SMILESCn1cc(C(F)F)c(C2=CCNCC2)n1
InChIInChI=1S/C10H13F2N3/c1-15-6-8(10(11)12)9(14-15)7-2-4-13-5-3-7/h2,6,10,13H,3-5H2,1H3
InChIKeyOJCAEVIKIQHXLW-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.73
Rot. Bonds2

About 4-[4-(difluoromethyl)-1-methylpyrazol-3-yl]-1,2,3,6-tetrahydropyridine

4-[4-(difluoromethyl)-1-methylpyrazol-3-yl]-1,2,3,6-tetrahydropyridine (PubChem CID 165475953) has the molecular formula C10H13F2N3 and a molecular weight of 213.23 g/mol. Its IUPAC name is 4-[4-(difluoromethyl)-1-methylpyrazol-3-yl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[4-(difluoromethyl)-1-methylpyrazol-3-yl]-1,2,3,6-tetrahydropyridine
PubChem CID165475953
Molecular FormulaC10H13F2N3
Molecular Weight213.23 g/mol
Exact Mass213.11
IUPAC Name4-[4-(difluoromethyl)-1-methylpyrazol-3-yl]-1,2,3,6-tetrahydropyridine
SMILESCn1cc(C(F)F)c(C2=CCNCC2)n1
InChIInChI=1S/C10H13F2N3/c1-15-6-8(10(11)12)9(14-15)7-2-4-13-5-3-7/h2,6,10,13H,3-5H2,1H3
InChIKeyOJCAEVIKIQHXLW-UHFFFAOYSA-N
XLogP1.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethyl)-1-methylpyrazol-3-yl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[4-(difluoromethyl)-1-methylpyrazol-3-yl]-1,2,3,6-tetrahydropyridine (CID 165475953) is 4-[4-(difluoromethyl)-1-methylpyrazol-3-yl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[4-(difluoromethyl)-1-methylpyrazol-3-yl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[4-(difluoromethyl)-1-methylpyrazol-3-yl]-1,2,3,6-tetrahydropyridine is Cn1cc(C(F)F)c(C2=CCNCC2)n1.
What is the InChIKey of 4-[4-(difluoromethyl)-1-methylpyrazol-3-yl]-1,2,3,6-tetrahydropyridine?
The InChIKey is OJCAEVIKIQHXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3/c1-15-6-8(10(11)12)9(14-15)7-2-4-13-5-3-7/h2,6,10,13H,3-5H2,1H3.
What are the key properties of 4-[4-(difluoromethyl)-1-methylpyrazol-3-yl]-1,2,3,6-tetrahydropyridine?
4-[4-(difluoromethyl)-1-methylpyrazol-3-yl]-1,2,3,6-tetrahydropyridine has a molecular weight of 213.23 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethyl)-1-methylpyrazol-3-yl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 165475953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).